ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010031
RECORD_TITLE: 6-HYDROXY-6-METHYL-2-HEPTANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: 6-HYDROXY-6-METHYL-2-HEPTANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆O₂
CH$EXACT_MASS: 144.11503
CH$SMILES: CC(=O)CCCC(C)(C)O
CH$IUPAC: InChI=1S/C8H16O2/c1-7(9)5-4-6-8(2,3)10/h10H,4-6H2,1-3H3
CH$LINK: INCHIKEY BDKJAPPUGXLAHC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50198805

AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-9100000000-23ccde11e2779895c693
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  27 5.8 58
  29 3.2 32
  31 12.3 123
  39 0.55 6
  41 17.9 179
  42 4.1 41
  43 74.8 748
  44 0.2 2
  45 3.2 32
  53 2.1 21
  55 14.7 147
  56 1.62 16
  57 1.8 18
  58 78.2 782
  59 99.99 999
  60 0.44 4
  67 2.9 29
  68 2.3 23
  69 15.2 152
  71 9.09 91
  72 4.2 42
  83 7.4 74
  85 3.4 34
  86 0.55 6
  93 2.7 27
  108 10.5 105
  109 4.1 41
  111 2.23 22
  112 1.7 17
  116 23.6 236
  117 1.5 15
  126 0.58 6
  129 7.1 71
//